[4-(2,2-dicyanoethenyl)phenyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c23-15-18(16-24)14-17-6-8-20(9-7-17)29-22(26)19-10-12-25(13-11-19)30(27,28)21-4-2-1-3-5-21/h1-9,14,19H,10-13H2